Tenidap - Moligand™, ≥98% , Activator of K ir2.3, CAS No.120210-48-2, Activator of K ir2.3

CAS: 120210-48-2 Cat. No.: T286898 Peso molecular: 320.75 Número EC: 802-425-4 PubChem CID: 60712

GRADE & PURITY Moligand™, ≥98%

Synonyms

BDBM50331888 | 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide | (Z)-5-chloro-3-(hydroxy(thiophen-2-yl)methylene)-2-oxoindoline-1-carboxamide | CP-66248 | VEA21048 | NCGC00160352-01 | Tenidapum [INN-Latin] | NCGC00263542-01 | (3Z)-5-Chloro

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Tenidap (CP-66248) is a selective COX-1 and SLC26A3 inhibitor with anti-inflammatory, analgesic, and anti-rheumatic activities.

Specifications

Sinónimos

BDBM50331888 | 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide | (Z)-5-chloro-3-(hydroxy(thiophen-2-yl)methylene)-2-oxoindoline-1-carboxamide | CP-66248 | VEA21048 | NCGC00160352-01 | Tenidapum [INN-Latin] | NCGC00263542-01 | (3Z)-5-Chloro

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

NSAID that preferentially inhibits COX-1 (IC50values are < 0.03, 1.2 and > 30μM for COX-1, COX-2 and 5-lipoxygenase respectively). Inhibits formation of pro-inflammatory arachidonic acid metabolites in isolated human peripheral polymorphonuclear leukocyte

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

ACTIVATOR

Mecanismo de acción

Activator of K ir2.3

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CSC(=C1)C(=O)C2=C(N(C3=C2C=C(C=C3)Cl)C(=O)N)O
• IUPAC Name: 5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide
• InChIKey: IZSFDUMVCVVWKW-UHFFFAOYSA-N
• INCHI: 1S/C14H9ClN2O3S/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10/h1-6,19H,(H2,16,20)
• Isómeros SMILES: C1=CSC(=C1)C(=O)C2=C(N(C3=C2C=C(C=C3)Cl)C(=O)N)O
• WGK Alemania: 3
• PubChem CID: 60712
• Peso molecular: 320.75

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Indolecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indolecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolecarboxamides and derivatives
• Alternative Parents: Hydroxyindoles Indoles Aryl ketones Thiophene carboxylic acids and derivatives Pyrrole carboxamides Aryl chlorides Benzenoids Substituted pyrroles Vinylogous amides Vinylogous acids Heteroaromatic compounds Ureas Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxamide derivative - Hydroxyindole - Indole - Pyrrole-1-carboxamide - Pyrrole-1-carboxylic acid or derivatives - Thiophene carboxylic acid or derivatives - Aryl ketone - Aryl chloride - Aryl halide - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Vinylogous amide - Vinylogous acid - Thiophene - Carbonic acid derivative - Urea - Ketone - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

KCNJ4 Tchem Inward rectifier potassium channel 4 (0 Activities)

Discover Target: KCNJ4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 32.07, Max Conc. mM: 100
• Peso molecular: 320.800 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 320.002 Da
• Monoisotopic Mass: 320.002 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 450.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1